1-decyl-3-(2-methyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-decyl-3-(2-methyl-5-nitro-phenyl)thiourea Openeye Name: 1-decyl-3-(2-methyl-5-nitro-phenyl)thiourea CAS Name: 1-decyl-3-(2-methyl-5-nitrophenyl)thiourea IUPAC Name: 1-decyl-3-(2-methyl-5-nitrophenyl)thiourea Traditional Name: 1-decyl-3-(2-methyl-5-nitro-phenyl)thiourea Formula: C18H29N3O2S MolecularWeight: 351.50676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])C

InChI

InChI=1S/C18H29N3O2S/c1-3-4-5-6-7-8-9-10-13-19-18(24)20-17-14-16(21(22)23)12-11-15(17)2/h11-12,14H,3-10,13H2,1-2H3,(H2,19,20,24)